M715-0191 Screening compound: ethyl 1-{4-[6-(azepan-1-yl)pyridin-3-yl]benzoyl}piperidine-4-carboxylate

M715-0191 Screening compound: ethyl 1-{4-[6-(azepan-1-yl)pyridin-3-yl]benzoyl}piperidine-4-carboxylate
M715-0191 Screening compound: ethyl 1-{4-[6-(azepan-1-yl)pyridin-3-yl]benzoyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound M715-0191
ethyl 1-{4-[6-(azepan-1-yl)pyridin-3-yl]benzoyl}piperidine-4-carboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

M715-0191

Molecular Formula

C26H33N3O3 (C26 H33 N3 O3)

Compound Name

ethyl 1-{4-[6-(azepan-1-yl)pyridin-3-yl]benzoyl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{4-[6-(azepan-1-yl)pyridin-3-yl]benzoyl}piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(c(cc1)ccc1-c(cc1)cnc1N1CCCCCC1)=O)=O

InChI

InChI=1S/C26H33N3O3/c1-2-32-26(31)22-13-17-29(18-14-22)25(30)21-9-7-20(8-10-21)23-11-12-24(27-19-23)28-15-5-3-4-6-16-28/h7-12,19,22H,2-6,13-18H2,1H3

InChI Key

XGQIGMAMRIGMRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29019209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.923

Distribution Coefficient, logD

4.921

Water Solubility, LogSw

-4.36

Polar Surface Area

49.753

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

M715-0191 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with M715-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M715-0191?
Check Price and Availability of M715-0191, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M715-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M715-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M715-0191
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of M715-0191 available by request